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Journal of Superconductivity and Novel Magnetism

, Volume 27, Issue 2, pp 293–300 | Cite as

First-Principles Investigation of Half-metallic Ferromagnetism in V-doped BeS, BeSe, and BeTe

  • B. Doumi
  • A. Tadjer
  • F. Dahmane
  • A. Djedid
  • A. Yakoubi
  • Y. Barkat
  • M. Ould Kada
  • A. Sayede
  • L. Hamada
Review Paper

Abstract

We have investigated the electronic structure and half-metallic ferromagnetism in zinc blende phase of Be1−x V x M (M=S, Se, Te) at concentration x=0.125 by employing a first-principles calculations within the framework of density functional theory (DFT) based on the linearized augmented plane wave method (FP-LAPW), as implanted in the WIEN2k code with generalized gradient approximation functional proposed by Wu and Cohen (WC-GGA). The electronic properties exhibit half-metallic behavior. So the density of states shows the hybridization between the p (S, Se, Te) and 3d (V) states that creates the antibonding states in the gap, which stabilizes the ferromagnetic ground state associated with the double-exchange mechanism, whereas the spin polarized band structures depict half-metallic gap that increases from Be0.875V0.125S to Be0.875V0.125Se to Be0.875V0.125Te. These compounds are robust half-metallic ferromagnets with spin polarization of 100 % and predicted to be potential candidates for spin injection applications in spintronic devices. Therefore, our predictions require an experimental confirmation in the future.

Keywords

Spintronics Half-metallic ferromagnetism Double-exchange mechanism Vanadium doped II-VI chalcogenides 

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Copyright information

© Springer Science+Business Media New York 2013

Authors and Affiliations

  • B. Doumi
    • 1
  • A. Tadjer
    • 1
  • F. Dahmane
    • 1
  • A. Djedid
    • 1
  • A. Yakoubi
    • 1
  • Y. Barkat
    • 2
  • M. Ould Kada
    • 3
  • A. Sayede
    • 4
  • L. Hamada
    • 5
  1. 1.Modelling and Simulation in Materials Science Laboratory, Physics DepartmentDjillali Liabes University of Sidi Bel-AbbesSidi Bel-AbbesAlgeria
  2. 2.Laboratoire des Matériaux Magnétiques, Département de PhysiqueUniversité Djillali Liabes de Sidi Bel-AbbesSidi Bel-AbbesAlgérie
  3. 3.Laboratoire de Physique Quantique de la Matière et de Modélisation Mathématique (LPQ3M)Université de MascaraMascaraAlgérie
  4. 4.Unité de Catalyse et Chimie du Solide (UCCS), UMR CNRS 8181, Faculté des SciencesUniversité d’ArtoisLensFrance
  5. 5.Laboratoire d’Etudes Physico-ChimiquesUniversité Dr. Moulay Tahar de SaidaSaidaAlgérie

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